1,3-Dibutyl-5-[(E)-3-(1,3-Dibutyl-2,4,6-Trioxo-1,3-Diazinan-5-Yl)Prop-2-Enylidene]-1,3-Diazinane-2,4,6-Trione
[CAS# 110425-49-5]

Identification

• Name: 1,3-Dibutyl-5-[(E)-3-(1,3-Dibutyl-2,4,6-Trioxo-1,3-Diazinan-5-Yl)Prop-2-Enylidene]-1,3-Diazinane-2,4,6-Trione
• Synonyms: 1,3-Dibutyl-5-[(E)-3-(1,3-Dibutyl-2,4,6-Trioxo-Hexahydropyrimidin-5-Yl)Prop-2-Enylidene]Hexahydropyrimidine-2,4,6-Trione; 1,3-Dibutyl-5-[(E)-3-(1,3-Dibutyl-2,4,6-Trioxo-5-Hexahydropyrimidinyl)Prop-2-Enylidene]Hexahydropyrimidine-2,4,6-Trione; 1,3-Dibutyl-5-[(E)-3-(1,3-Dibutyl-2,4,6-Triketo-Hexahydropyrimidin-5-Yl)Prop-2-Enylidene]Barbituric Acid
• Molecular Formula: C₂₇H₄₀N₄O₆
• Molecular Weight: 516.64
• CAS Registry Number: 110425-49-5
• SMILES: C(N1C(=O)C(C(=O)N(C1=O)CCCC)=C/C=C/C2C(=O)N(C(=O)N(C2=O)CCCC)CCCC)CCC
• InChI: 1S/C27H40N4O6/c1-5-9-16-28-22(32)20(23(33)29(26(28)36)17-10-6-2)14-13-15-21-24(34)30(18-11-7-3)27(37)31(25(21)35)19-12-8-4/h13-15,20H,5-12,16-19H2,1-4H3/b14-13+
• InChIKey: ATJCYSYHWGQAET-BUHFOSPRSA-N

Properties

• Density: 1.201g/cm³ (Cal.)
• Boiling point: 614.284°C at 760 mmHg (Cal.)
• Flash point: 234.883°C (Cal.)